(1s 2 2s 2 5p 1 ) 2 P Na 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | 1.187816 | 3.14842703 |
| 2 | 3p | 1.876464 | -4.46165307 |
| 3 | 4p | 1.483161 | 5.25126322 |
| 4 | 5p | 1.428320 | -4.97204399 |
| 5 | 2p | 6.606578 | .05696752 |
| 6 | 5p | 6.971534 | .02170492 |
| 7 | 4p | 9.051454 | .01535024 |
| 8 | 5p | 1.019983 | .01222488 |
| ORB.ENERGY,a.u. | -1.040400 | ||
| NORM | 1.000000 | < R > | 4.911697 | < R2 > | 27.149836 | < 1/R > | .297354 | < 1/R**2 > | .317384 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.399268 | .36563675 |
| 2 | 2s | 4.244349 | -.78452522 |
| 3 | 3s | 5.463591 | -.28330788 |
| 4 | 5s | 10.470289 | -.02304622 |
| 5 | 4s | 21.428141 | .00386728 |
| 6 | 5s | 30.728099 | -.00071818 |
| 7 | 4s | 1.863901 | .00160215 |
| 8 | 4s | 1.685162 | -.00129201 |
| ORB.ENERGY,a.u. | -9.286700 | ||
| NORM | 1.000000 | < R > | .636566 | < R2 > | .473760 | < 1/R > | 2.288638 | < 1/R**2 > | 21.120675 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.350251 | .94557591 |
| 2 | 1s | 17.478004 | .05260248 |
| 3 | 2s | 10.728279 | .01985662 |
| 4 | 3s | 13.002187 | -.01555353 |
| 5 | 5s | 23.884491 | .00154523 |
| 6 | 4s | 55.552866 | -.00009153 |
| ORB.ENERGY,a.u. | -49.600000 |
| NORM | 1.000000 | < R > | .141473 | < R2 > | .026823 | < 1/R > | 10.671645 | < 1/R**2 > | 229.649455 |
Total Energy= -135.82847749 a.u.
Kinetic Energy= 135.82846307 a.u.
Potential Energy= -271.65694056 a.u.
Virial Ratio = -2.00000011